BDBM50424213 CHEMBL2312482

SMILES: CCCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34

InChI Key: InChIKey=WIAHPNNINQUXBH-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50424213   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50424213 (CHEMBL2312482) Show SMILES CCCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34 Show InChI InChI=1S/C24H27N3OS/c1-2-3-4-5-11-25-23-21-17-9-10-19(27-12-14-29-15-13-27)16-7-6-8-18(20(16)17)22(21)26-24(23)28/h6-10H,2-5,11-15H2,1H3,(H,25,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to N-terminal 8xHis tagged cBcl-XL (unknown origin) expressed in Escherichia coli BL21 (DE3) by ELISA				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50424213 (CHEMBL2312482) Show SMILES CCCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34 Show InChI InChI=1S/C24H27N3OS/c1-2-3-4-5-11-25-23-21-17-9-10-19(27-12-14-29-15-13-27)16-7-6-8-18(20(16)17)22(21)26-24(23)28/h6-10H,2-5,11-15H2,1H3,(H,25,26,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to cMcl-1 (residues 171 to 327) (unknown origin) by biotin-Bim displacement based ELISA				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50424213 (CHEMBL2312482) Show SMILES CCCCCCNc1c2c3ccc(N4CCSCC4)c4cccc(c2nc1=O)c34 Show InChI InChI=1S/C24H27N3OS/c1-2-3-4-5-11-25-23-21-17-9-10-19(27-12-14-29-15-13-27)16-7-6-8-18(20(16)17)22(21)26-24(23)28/h6-10H,2-5,11-15H2,1H3,(H,25,26,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Dalian University of Technology Curated by ChEMBL					Assay Description Binding affinity to human Bcl-2 (unknown origin) by biotin-Bim displacement based ELISA				Bioorg Med Chem 21: 11-20 (2012) Article DOI: 10.1016/j.bmc.2012.11.008 BindingDB Entry DOI: 10.7270/Q25X2B7H
					More data for this Ligand-Target Pair